(3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride

C8H7Cl2FO3S — CID 84713471

IUPAC(3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(F)cc(CS(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-14-8-6(9)2-5(3-7(8)11)4-15(10,12)13/h2-3H,4H2,1H3
InChIKeyDMELKACDUPNDMX-UHFFFAOYSA-N
MW273.11 g/mol
LogP2.56
Rot. Bonds3

About (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride

(3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride (PubChem CID 84713471) has the molecular formula C8H7Cl2FO3S and a molecular weight of 273.11 g/mol. Its IUPAC name is (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride
PubChem CID84713471
Molecular FormulaC8H7Cl2FO3S
Molecular Weight273.11 g/mol
Exact Mass271.95
IUPAC Name(3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride
SMILESCOc1c(F)cc(CS(=O)(=O)Cl)cc1Cl
InChIInChI=1S/C8H7Cl2FO3S/c1-14-8-6(9)2-5(3-7(8)11)4-15(10,12)13/h2-3H,4H2,1H3
InChIKeyDMELKACDUPNDMX-UHFFFAOYSA-N
XLogP2.56
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.11
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
The IUPAC name of (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride (CID 84713471) is (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride.
What is the SMILES notation for (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
The canonical SMILES for (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride is COc1c(F)cc(CS(=O)(=O)Cl)cc1Cl.
What is the InChIKey of (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
The InChIKey is DMELKACDUPNDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7Cl2FO3S/c1-14-8-6(9)2-5(3-7(8)11)4-15(10,12)13/h2-3H,4H2,1H3.
What are the key properties of (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride?
(3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride has a molecular weight of 273.11 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-5-fluoro-4-methoxyphenyl)methanesulfonyl chloride is sourced from PubChem (CID 84713471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).